Screening of serum biomarkers in patients with PCOS through lipid omics and ensemble machine learning.
Polycystic ovary syndrome (PCOS) is a primary endocrine disorder affecting premenopausal women involving metabolic dysregulation. We aimed to screen serum biomarkers in PCOS patients using untargeted lipidomics and ensemble machine learning. Serum from PCOS patients and non-PCOS subjects were collec...
Saved in:
| Main Authors: | , , , , , , , |
|---|---|
| Format: | Article |
| Language: | English |
| Published: |
Public Library of Science (PLoS)
2025-01-01
|
| Series: | PLoS ONE |
| Online Access: | https://doi.org/10.1371/journal.pone.0313494 |
| Tags: |
Add Tag
No Tags, Be the first to tag this record!
|
| _version_ | 1841533203119079424 |
|---|---|
| author | Ji-Ying Chen Wu-Jie Chen Zhi-Ying Zhu Shi Xu Li-Lan Huang Wen-Qing Tan Yong-Gang Zhang Yan-Li Zhao |
| author_facet | Ji-Ying Chen Wu-Jie Chen Zhi-Ying Zhu Shi Xu Li-Lan Huang Wen-Qing Tan Yong-Gang Zhang Yan-Li Zhao |
| author_sort | Ji-Ying Chen |
| collection | DOAJ |
| description | Polycystic ovary syndrome (PCOS) is a primary endocrine disorder affecting premenopausal women involving metabolic dysregulation. We aimed to screen serum biomarkers in PCOS patients using untargeted lipidomics and ensemble machine learning. Serum from PCOS patients and non-PCOS subjects were collected for untargeted lipidomics analysis. Through analyzing the classification of differential lipid metabolites and the association between differential lipid metabolites and clinical indexes, ensemble machine learning, data preprocessing, statistical test pre-screening, ensemble learning method secondary screening, biomarkers verification and evaluation, and diagnostic panel model construction and verification were performed on the data of untargeted lipidomics. Results indicated that different lipid metabolites not only differ between groups but also have close effects on different corresponding clinical indexes. PI (18:0/20:3)-H and PE (18:1p/22:6)-H were identified as candidate biomarkers. Three machine learning models, logistic regression, random forest, and support vector machine, showed that screened biomarkers had better classification ability and effect. In addition, the correlation of candidate biomarkers was low, indicating that the overlap between the selected biomarkers was low, and the combination of panels was more optimized. When the AUC value of the test set of the constructed diagnostic panel model was 0.815, the model's accuracy in the test set was 0.74, specificity was 0.88, and sensitivity was 0.7. This study demonstrated the applicability and robustness of machine learning algorithms to analyze lipid metabolism data for efficient and reliable biomarker screening. PI (18:0/20:3)-H and PE (18:1p/22:6)-H showed great potential in diagnosing PCOS. |
| format | Article |
| id | doaj-art-e9752b99f5b945998e75ff568e6311c6 |
| institution | Kabale University |
| issn | 1932-6203 |
| language | English |
| publishDate | 2025-01-01 |
| publisher | Public Library of Science (PLoS) |
| record_format | Article |
| series | PLoS ONE |
| spelling | doaj-art-e9752b99f5b945998e75ff568e6311c62025-01-17T05:31:39ZengPublic Library of Science (PLoS)PLoS ONE1932-62032025-01-01201e031349410.1371/journal.pone.0313494Screening of serum biomarkers in patients with PCOS through lipid omics and ensemble machine learning.Ji-Ying ChenWu-Jie ChenZhi-Ying ZhuShi XuLi-Lan HuangWen-Qing TanYong-Gang ZhangYan-Li ZhaoPolycystic ovary syndrome (PCOS) is a primary endocrine disorder affecting premenopausal women involving metabolic dysregulation. We aimed to screen serum biomarkers in PCOS patients using untargeted lipidomics and ensemble machine learning. Serum from PCOS patients and non-PCOS subjects were collected for untargeted lipidomics analysis. Through analyzing the classification of differential lipid metabolites and the association between differential lipid metabolites and clinical indexes, ensemble machine learning, data preprocessing, statistical test pre-screening, ensemble learning method secondary screening, biomarkers verification and evaluation, and diagnostic panel model construction and verification were performed on the data of untargeted lipidomics. Results indicated that different lipid metabolites not only differ between groups but also have close effects on different corresponding clinical indexes. PI (18:0/20:3)-H and PE (18:1p/22:6)-H were identified as candidate biomarkers. Three machine learning models, logistic regression, random forest, and support vector machine, showed that screened biomarkers had better classification ability and effect. In addition, the correlation of candidate biomarkers was low, indicating that the overlap between the selected biomarkers was low, and the combination of panels was more optimized. When the AUC value of the test set of the constructed diagnostic panel model was 0.815, the model's accuracy in the test set was 0.74, specificity was 0.88, and sensitivity was 0.7. This study demonstrated the applicability and robustness of machine learning algorithms to analyze lipid metabolism data for efficient and reliable biomarker screening. PI (18:0/20:3)-H and PE (18:1p/22:6)-H showed great potential in diagnosing PCOS.https://doi.org/10.1371/journal.pone.0313494 |
| spellingShingle | Ji-Ying Chen Wu-Jie Chen Zhi-Ying Zhu Shi Xu Li-Lan Huang Wen-Qing Tan Yong-Gang Zhang Yan-Li Zhao Screening of serum biomarkers in patients with PCOS through lipid omics and ensemble machine learning. PLoS ONE |
| title | Screening of serum biomarkers in patients with PCOS through lipid omics and ensemble machine learning. |
| title_full | Screening of serum biomarkers in patients with PCOS through lipid omics and ensemble machine learning. |
| title_fullStr | Screening of serum biomarkers in patients with PCOS through lipid omics and ensemble machine learning. |
| title_full_unstemmed | Screening of serum biomarkers in patients with PCOS through lipid omics and ensemble machine learning. |
| title_short | Screening of serum biomarkers in patients with PCOS through lipid omics and ensemble machine learning. |
| title_sort | screening of serum biomarkers in patients with pcos through lipid omics and ensemble machine learning |
| url | https://doi.org/10.1371/journal.pone.0313494 |
| work_keys_str_mv | AT jiyingchen screeningofserumbiomarkersinpatientswithpcosthroughlipidomicsandensemblemachinelearning AT wujiechen screeningofserumbiomarkersinpatientswithpcosthroughlipidomicsandensemblemachinelearning AT zhiyingzhu screeningofserumbiomarkersinpatientswithpcosthroughlipidomicsandensemblemachinelearning AT shixu screeningofserumbiomarkersinpatientswithpcosthroughlipidomicsandensemblemachinelearning AT lilanhuang screeningofserumbiomarkersinpatientswithpcosthroughlipidomicsandensemblemachinelearning AT wenqingtan screeningofserumbiomarkersinpatientswithpcosthroughlipidomicsandensemblemachinelearning AT yonggangzhang screeningofserumbiomarkersinpatientswithpcosthroughlipidomicsandensemblemachinelearning AT yanlizhao screeningofserumbiomarkersinpatientswithpcosthroughlipidomicsandensemblemachinelearning |